(1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one

C15H22O5 — CID 11022361

IUPAC(1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one
SMILESO=C1C[C@H]2O[C@H]3CC[C@H]4OCCC[C@@H]4O[C@@H]3CC[C@@H]2O1
InChIInChI=1S/C15H22O5/c16-15-8-14-13(20-15)6-5-11-12(19-14)4-3-9-10(18-11)2-1-7-17-9/h9-14H,1-8H2/t9-,10+,11-,12+,13+,14-/m1/s1
InChIKeyPUOFQAXSQDVBMS-QTJJRWQNSA-N
MW282.34 g/mol
LogP1.58
Rot. Bonds

About (1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one

(1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one (PubChem CID 11022361) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is (1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one.

Molecular Properties

Compound Name(1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one
PubChem CID11022361
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name(1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one
SMILESO=C1C[C@H]2O[C@H]3CC[C@H]4OCCC[C@@H]4O[C@@H]3CC[C@@H]2O1
InChIInChI=1S/C15H22O5/c16-15-8-14-13(20-15)6-5-11-12(19-14)4-3-9-10(18-11)2-1-7-17-9/h9-14H,1-8H2/t9-,10+,11-,12+,13+,14-/m1/s1
InChIKeyPUOFQAXSQDVBMS-QTJJRWQNSA-N
XLogP1.58
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one with MolForge

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Related Compounds

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ethyl 2-[(1S,4R,5S)-1-hexyl-2,3,8-trioxabicyclo[3.2.1]octan-4-yl]acetate
CID 134928373
4,5,8-Trimethoxy-10-methyloxecan-2-one
CID 57206343
(3aR,5S,8aR)-5-methyl-3a,5,6,7,8,8a-hexahydro-3H-furo[3,2-b]oxepin-2-one
CID 10511353
(1R,3S,8R,11S,13R,17R)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one
CID 10869748
(1S,3R,7S,10R)-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one
CID 10921805
(1S,3R,7S,10R)-7-methyl-2,6,11-trioxatricyclo[8.4.0.03,7]tetradecan-5-one
CID 10944142
ethyl 2-[(1S,5S)-1-hexyl-2,3,8-trioxabicyclo[3.2.1]octan-4-yl]acetate
CID 11219899
Ethyl 2-(1-hexyl-2,3,8-trioxabicyclo[3.2.1]octan-4-yl)acetate
CID 12168699
ethyl 2-[(4aS,6R,7R,9aR)-7-acetyloxy-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-6-yl]acetate
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3a,5,6,7,8,8a-hexahydro-3H-furo[3,2-b]oxepin-2-one
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Frequently Asked Questions

What is the IUPAC name of (1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one?
The IUPAC name of (1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one (CID 11022361) is (1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one.
What is the SMILES notation for (1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one?
The canonical SMILES for (1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one is O=C1C[C@H]2O[C@H]3CC[C@H]4OCCC[C@@H]4O[C@@H]3CC[C@@H]2O1.
What is the InChIKey of (1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one?
The InChIKey is PUOFQAXSQDVBMS-QTJJRWQNSA-N. The full InChI is InChI=1S/C15H22O5/c16-15-8-14-13(20-15)6-5-11-12(19-14)4-3-9-10(18-11)2-1-7-17-9/h9-14H,1-8H2/t9-,10+,11-,12+,13+,14-/m1/s1.
What are the key properties of (1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one?
(1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one has a molecular weight of 282.34 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,8R,11S,13R,17S)-2,7,12,16-tetraoxatetracyclo[9.8.0.03,8.013,17]nonadecan-15-one is sourced from PubChem (CID 11022361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).